[3-[3-(2-hexyldecanoylamino)propyl-dimethyl-azaniumyl]-2-oxidanyl-propyl] hydrogen phosphate

Systemtic Name: [3-[3-(2-hexyldecanoylamino)propyl-dimethyl-azaniumyl]-2-oxidanyl-propyl] hydrogen phosphate Openeye Name: [3-[3-(2-hexyldecanoylamino)propyl-dimethyl-ammonio]-2-hydroxy-propyl] hydrogen phosphate CAS Name: [3-[3-[(2-hexyl-1-oxodecyl)amino]propyl-dimethylammonio]-2-hydroxypropyl] hydrogen phosphate IUPAC Name: [3-[3-(2-hexyldecanoylamino)propyl-dimethylazaniumyl]-2-hydroxypropyl] hydrogen phosphate Traditional Name: [3-[3-(2-hexyldecanoylamino)propyl-dimethyl-ammonio]-2-hydroxy-propyl] hydrogen phosphate Formula: C24H51N2O6P MolecularWeight: 494.645301

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCC)C(=O)NCCC[N+](C)(C)CC(COP(=O)(O)[O-])O

Isomeric SMILES

CCCCCCCCC(CCCCCC)C(=O)NCCC[N+](C)(C)CC(COP(=O)(O)[O-])O

InChI

InChI=1S/C24H51N2O6P/c1-5-7-9-11-12-14-17-22(16-13-10-8-6-2)24(28)25-18-15-19-26(3,4)20-23(27)21-32-33(29,30)31/h22-23,27H,5-21H2,1-4H3,(H2-,25,28,29,30,31)